CID 21835873

4-chloro-3-methylbenzene-1,2-diamine hydrochloride

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CC1=C(C=CC(=C1N)N)Cl
InChI
InChI=1S/C7H9ClN2/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,9-10H2,1H3
InChIKey
MJASWYJHGMJHER-UHFFFAOYSA-N
Compound name
4-chloro-3-methylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

156.04543 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.052706 130.6
[M+Na]+ 179.034648 140.8
[M-H]- 155.038154 134.2
[M+NH4]+ 174.079253 152.2
[M+K]+ 195.008588 136.5
[M+H-H2O]+ 139.042690 126.4
[M+HCOO]- 201.043631 152.0
[M+CH3COO]- 215.059281 181.0
[M+Na-2H]- 177.020096 135.5
[M]+ 156.04488142 129.4
[M]- 156.04597858 129.4
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