CID 21252

5185-72-8

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 156.7
[M+Na]+ 315.96920 167.5
[M+NH4]+ 311.01380 163.5
[M+K]+ 331.94314 162.3
[M-H]- 291.97270 157.0
[M+Na-2H]- 313.95465 161.5
[M]+ 292.97943 158.4
[M]- 292.98053 158.4
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.