CID 19601391

2,5-dichloro-4-methylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

174.99556 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.00284 130.3
[M+Na]+ 197.98478 145.6
[M+NH4]+ 193.02938 140.5
[M+K]+ 213.95872 137.7
[M-H]- 173.98828 133.9
[M+Na-2H]- 195.97023 138.3
[M]+ 174.99501 134.2
[M]- 174.99611 134.2
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