CID 18334273

N-ethyl-3,4-difluoroaniline

Structural Information

Molecular Formula
C8H9F2N
SMILES
CCNC1=CC(=C(C=C1)F)F
InChI
InChI=1S/C8H9F2N/c1-2-11-6-3-4-7(9)8(10)5-6/h3-5,11H,2H2,1H3
InChIKey
WWONUZXEGYMTKR-UHFFFAOYSA-N
Compound name
N-ethyl-3,4-difluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

157.07031 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07759 127.7
[M+Na]+ 180.05953 136.7
[M-H]- 156.06303 129.3
[M+NH4]+ 175.10413 148.9
[M+K]+ 196.03347 134.1
[M+H-H2O]+ 140.06757 120.5
[M+HCOO]- 202.06851 151.5
[M+CH3COO]- 216.08416 180.9
[M+Na-2H]- 178.04498 134.2
[M]+ 157.06976 124.9
[M]- 157.07086 124.9
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