CID 21835873

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

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

119
Patents

156.04543 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 130.6
[M+Na]+ 179.03465 140.8
[M-H]- 155.03815 134.2
[M+NH4]+ 174.07925 152.2
[M+K]+ 195.00859 136.5
[M+H-H2O]+ 139.04269 126.4
[M+HCOO]- 201.04363 152.0
[M+CH3COO]- 215.05928 181.0
[M+Na-2H]- 177.02010 135.5
[M]+ 156.04488 129.4
[M]- 156.04598 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