CID 72232104

3-cyclopropoxy-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C10H10F3NO
SMILES
C1CC1OC2=CC(=CC(=C2)N)C(F)(F)F
InChI
InChI=1S/C10H10F3NO/c11-10(12,13)6-3-7(14)5-9(4-6)15-8-1-2-8/h3-5,8H,1-2,14H2
InChIKey
XQQNTPUDLNYGEL-UHFFFAOYSA-N
Compound name
3-cyclopropyloxy-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.07144 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07872 135.5
[M+Na]+ 240.06066 145.7
[M-H]- 216.06416 139.2
[M+NH4]+ 235.10526 149.0
[M+K]+ 256.03460 141.7
[M+H-H2O]+ 200.06870 126.7
[M+HCOO]- 262.06964 156.2
[M+CH3COO]- 276.08529 192.2
[M+Na-2H]- 238.04611 140.9
[M]+ 217.07089 133.5
[M]- 217.07199 133.5
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

No patent data available for this compound.