CID 19048352

2-chloro-n1-methylbenzene-1,4-diamine

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CNC1=C(C=C(C=C1)N)Cl
InChI
InChI=1S/C7H9ClN2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,10H,9H2,1H3
InChIKey
XCGOCWBIFFICFZ-UHFFFAOYSA-N
Compound name
2-chloro-1-N-methylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

156.04543 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 130.0
[M+Na]+ 179.03465 139.3
[M-H]- 155.03815 133.7
[M+NH4]+ 174.07925 151.6
[M+K]+ 195.00859 135.3
[M+H-H2O]+ 139.04269 125.5
[M+HCOO]- 201.04363 152.1
[M+CH3COO]- 215.05928 180.4
[M+Na-2H]- 177.02010 136.8
[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

No literature data available for this compound.

Patent stripe

patents stripe