CID 43312967

2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde

Structural Information

Molecular Formula
C11H12FNO
SMILES
CN(C1CC1)C2=C(C=C(C=C2)F)C=O
InChI
InChI=1S/C11H12FNO/c1-13(10-3-4-10)11-5-2-9(12)6-8(11)7-14/h2,5-7,10H,3-4H2,1H3
InChIKey
BCRCCZBIQHXWLV-UHFFFAOYSA-N
Compound name
2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09029 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09757 136.9
[M+Na]+ 216.07951 146.7
[M-H]- 192.08301 144.9
[M+NH4]+ 211.12411 152.2
[M+K]+ 232.05345 144.1
[M+H-H2O]+ 176.08755 129.1
[M+HCOO]- 238.08849 162.2
[M+CH3COO]- 252.10414 193.2
[M+Na-2H]- 214.06496 142.3
[M]+ 193.08974 139.5
[M]- 193.09084 139.5
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.