CID 131374088

3-fluoro-2-(propan-2-yl)benzaldehyde

Structural Information

Molecular Formula
C10H11FO
SMILES
CC(C)C1=C(C=CC=C1F)C=O
InChI
InChI=1S/C10H11FO/c1-7(2)10-8(6-12)4-3-5-9(10)11/h3-7H,1-2H3
InChIKey
ZEASDILLHQQUPU-UHFFFAOYSA-N
Compound name
3-fluoro-2-propan-2-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07939 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08667 131.5
[M+Na]+ 189.06861 140.5
[M-H]- 165.07211 134.5
[M+NH4]+ 184.11321 152.7
[M+K]+ 205.04255 138.5
[M+H-H2O]+ 149.07665 125.5
[M+HCOO]- 211.07759 154.2
[M+CH3COO]- 225.09324 181.3
[M+Na-2H]- 187.05406 136.2
[M]+ 166.07884 131.6
[M]- 166.07994 131.6
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.