CID 12377757

3,5-dichloro-n-methylaniline

Structural Information

Molecular Formula
C7H7Cl2N
SMILES
CNC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C7H7Cl2N/c1-10-7-3-5(8)2-6(9)4-7/h2-4,10H,1H3
InChIKey
JTUADIPAALOMFL-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

139
Patents

174.99556 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.002836 131.3
[M+Na]+ 197.984778 141.6
[M-H]- 173.988284 134.7
[M+NH4]+ 193.029383 153.0
[M+K]+ 213.958718 136.7
[M+H-H2O]+ 157.992820 127.8
[M+HCOO]- 219.993761 147.7
[M+CH3COO]- 234.009411 181.0
[M+Na-2H]- 195.970226 138.1
[M]+ 174.99501142 133.4
[M]- 174.99610858 133.4
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