CID 63334525

3-(3,4-difluorophenyl)-4-methylaniline

Structural Information

Molecular Formula
C13H11F2N
SMILES
CC1=C(C=C(C=C1)N)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C13H11F2N/c1-8-2-4-10(16)7-11(8)9-3-5-12(14)13(15)6-9/h2-7H,16H2,1H3
InChIKey
ORTOGJXQNAMHAM-UHFFFAOYSA-N
Compound name
3-(3,4-difluorophenyl)-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08595 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09323 145.0
[M+Na]+ 242.07517 155.2
[M-H]- 218.07867 149.7
[M+NH4]+ 237.11977 163.6
[M+K]+ 258.04911 150.2
[M+H-H2O]+ 202.08321 136.5
[M+HCOO]- 264.08415 168.0
[M+CH3COO]- 278.09980 193.2
[M+Na-2H]- 240.06062 148.8
[M]+ 219.08540 141.4
[M]- 219.08650 141.4
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

No patent data available for this compound.