CID 88282

2,4-dichloro-3-methylaniline

Structural Information

Molecular Formula
C7H7Cl2N
SMILES
CC1=C(C=CC(=C1Cl)N)Cl
InChI
InChI=1S/C7H7Cl2N/c1-4-5(8)2-3-6(10)7(4)9/h2-3H,10H2,1H3
InChIKey
FOYMVHMUBKHXLY-UHFFFAOYSA-N
Compound name
2,4-dichloro-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

174.99556 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.002836 131.5
[M+Na]+ 197.984778 142.8
[M-H]- 173.988284 134.8
[M+NH4]+ 193.029383 153.2
[M+K]+ 213.958718 137.5
[M+H-H2O]+ 157.992820 128.4
[M+HCOO]- 219.993761 147.3
[M+CH3COO]- 234.009411 181.5
[M+Na-2H]- 195.970226 136.6
[M]+ 174.99501142 133.0
[M]- 174.99610858 133.0
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