CID 44150205

Naphthalenedisulfonic acid, (2-methylpropyl)-, disodium salt

Structural Information

Molecular Formula
C14H16O6S2
SMILES
CC(C)CC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C14H16O6S2/c1-9(2)7-11-8-10-5-3-4-6-12(10)14(22(18,19)20)13(11)21(15,16)17/h3-6,8-9H,7H2,1-2H3,(H,15,16,17)(H,18,19,20)
InChIKey
QWUXRYXQSXFJFZ-UHFFFAOYSA-N
Compound name
3-(2-methylpropyl)naphthalene-1,2-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

344.03882 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.04610 172.6
[M+Na]+ 367.02804 180.3
[M-H]- 343.03154 174.0
[M+NH4]+ 362.07264 185.9
[M+K]+ 383.00198 175.3
[M+H-H2O]+ 327.03608 167.4
[M+HCOO]- 389.03702 179.2
[M+CH3COO]- 403.05267 202.1
[M+Na-2H]- 365.01349 176.6
[M]+ 344.03827 177.7
[M]- 344.03937 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe