CID 6666

1,5-naphthalenedisulfonic acid

Structural Information

Molecular Formula
C10H8O6S2
SMILES
C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKey
XTEGVFVZDVNBPF-UHFFFAOYSA-N
Compound name
naphthalene-1,5-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

73
References

42026
Patents

287.97623 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.98351 157.6
[M+Na]+ 310.96545 166.8
[M-H]- 286.96895 159.4
[M+NH4]+ 306.01005 173.0
[M+K]+ 326.93939 161.8
[M+H-H2O]+ 270.97349 152.7
[M+HCOO]- 332.97443 166.7
[M+CH3COO]- 346.99008 188.2
[M+Na-2H]- 308.95090 164.5
[M]+ 287.97568 161.5
[M]- 287.97678 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe