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

91
Patents

156.04543 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.052706 130.0
[M+Na]+ 179.034648 139.3
[M-H]- 155.038154 133.7
[M+NH4]+ 174.079253 151.6
[M+K]+ 195.008588 135.3
[M+H-H2O]+ 139.042690 125.5
[M+HCOO]- 201.043631 152.1
[M+CH3COO]- 215.059281 180.4
[M+Na-2H]- 177.020096 136.8
[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

No literature data available for this compound.

Patent stripe

patents stripe