CID 12475434

3-chloro-5-methylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

369
Patents

141.03453 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe