CID 64554370

2-methoxy-5-methyl-n-(3,3,3-trifluoropropyl)aniline

Structural Information

Molecular Formula
C11H14F3NO
SMILES
CC1=CC(=C(C=C1)OC)NCCC(F)(F)F
InChI
InChI=1S/C11H14F3NO/c1-8-3-4-10(16-2)9(7-8)15-6-5-11(12,13)14/h3-4,7,15H,5-6H2,1-2H3
InChIKey
YCDNQBSAYYXSLR-UHFFFAOYSA-N
Compound name
2-methoxy-5-methyl-N-(3,3,3-trifluoropropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.10275 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11003 148.5
[M+Na]+ 256.09197 156.7
[M-H]- 232.09547 148.5
[M+NH4]+ 251.13657 166.7
[M+K]+ 272.06591 153.9
[M+H-H2O]+ 216.10001 140.1
[M+HCOO]- 278.10095 168.9
[M+CH3COO]- 292.11660 194.5
[M+Na-2H]- 254.07742 153.4
[M]+ 233.10220 146.5
[M]- 233.10330 146.5
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