CID 66770

2-chloro-5-methylaniline

Structural Information

Molecular Formula
C7H8ClN
SMILES
CC1=CC(=C(C=C1)Cl)N
InChI
InChI=1S/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChIKey
HPSCXFOQUFPEPE-UHFFFAOYSA-N
Compound name
2-chloro-5-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1542
Patents

141.03453 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04181 125.1
[M+Na]+ 164.02375 135.2
[M-H]- 140.02725 128.9
[M+NH4]+ 159.06835 147.7
[M+K]+ 179.99769 131.4
[M+H-H2O]+ 124.03179 121.1
[M+HCOO]- 186.03273 146.2
[M+CH3COO]- 200.04838 175.5
[M+Na-2H]- 162.00920 131.8
[M]+ 141.03398 125.2
[M]- 141.03508 125.2
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