CID 18973698

151103-09-2

Structural Information

Molecular Formula

C₁₂H₁₂F₂O₃

SMILES

C1CC1COC2=C(C=CC(=C2)C=O)OC(F)F

InChI

InChI=1S/C12H12F2O3/c13-12(14)17-10-4-3-9(6-15)5-11(10)16-7-8-1-2-8/h3-6,8,12H,1-2,7H2

InChIKey

AHVVCELVGCPYGI-UHFFFAOYSA-N

Compound name

3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 290
Patents: 242.07545 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.08273	146.0
[M+Na]+	265.06467	155.6
[M-H]-	241.06817	151.1
[M+NH4]+	260.10927	158.8
[M+K]+	281.03861	152.3
[M+H-H2O]+	225.07271	137.2
[M+HCOO]-	287.07365	167.7
[M+CH3COO]-	301.08930	195.4
[M+Na-2H]-	263.05012	149.5
[M]+	242.07490	149.5
[M]-	242.07600	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe