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]+ 167.086666 131.5
[M+Na]+ 189.068608 140.5
[M-H]- 165.072114 134.5
[M+NH4]+ 184.113213 152.7
[M+K]+ 205.042548 138.5
[M+H-H2O]+ 149.076650 125.5
[M+HCOO]- 211.077591 154.2
[M+CH3COO]- 225.093241 181.3
[M+Na-2H]- 187.054056 136.2
[M]+ 166.07884142 131.6
[M]- 166.07993858 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.