CID 21252

Brn 2841702

Structural Information

Molecular Formula
C9H13AsClNO3
SMILES
CN(CCCl)C1=CC=C(C=C1)[As](=O)(O)O
InChI
InChI=1S/C9H13AsClNO3/c1-12(7-6-11)9-4-2-8(3-5-9)10(13,14)15/h2-5H,6-7H2,1H3,(H2,13,14,15)
InChIKey
IFUZYDZFQPYFIU-UHFFFAOYSA-N
Compound name
[4-[2-chloroethyl(methyl)amino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.97998 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.98726 158.6
[M+Na]+ 315.96920 165.8
[M-H]- 291.97270 160.6
[M+NH4]+ 311.01380 175.9
[M+K]+ 331.94314 162.3
[M+H-H2O]+ 275.97724 153.3
[M+HCOO]- 337.97818 175.5
[M+CH3COO]- 351.99383 190.2
[M+Na-2H]- 313.95465 163.3
[M]+ 292.97943 161.2
[M]- 292.98053 161.2
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

No patent data available for this compound.