CID 7240

2-chloroaniline

Structural Information

Molecular Formula
C6H6ClN
SMILES
C1=CC=C(C(=C1)N)Cl
InChI
InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChIKey
AKCRQHGQIJBRMN-UHFFFAOYSA-N
Compound name
2-chloroaniline
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

110
References

23030
Patents

127.018875 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.02615 119.9
[M+Na]+ 150.00809 134.1
[M+NH4]+ 145.05270 130.3
[M+K]+ 165.98203 126.7
[M-H]- 126.01160 123.6
[M+Na-2H]- 147.99354 128.7
[M]+ 127.01833 123.3
[M]- 127.01942 123.3
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