CID 92133619

2-(dimethylamino)-4-(trifluoromethyl)benzaldehyde

Structural Information

Molecular Formula
C10H10F3NO
SMILES
CN(C)C1=C(C=CC(=C1)C(F)(F)F)C=O
InChI
InChI=1S/C10H10F3NO/c1-14(2)9-5-8(10(11,12)13)4-3-7(9)6-15/h3-6H,1-2H3
InChIKey
YHIZJGDITCALNC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-4-(trifluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.07144 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07872 149.5
[M+Na]+ 240.06066 158.6
[M+NH4]+ 235.10526 155.2
[M+K]+ 256.03460 153.4
[M-H]- 216.06416 147.3
[M+Na-2H]- 238.04611 153.8
[M]+ 217.07089 149.9
[M]- 217.07199 149.9
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

No patent data available for this compound.